PCIDB

KNApSAcK Metabolite C00049266

Metabolite

KNApSAcK Entry

id C00049266
Name Polygalasaponin XLII / (-)-Polygalasaponin XLII
CAS RN 202527-34-2
Standard InChI InChI=1S/C64H94O27/c1-28-49(88-53-45(74)41(70)34(68)26-83-53)44(73)47(76)54(84-28)89-51-48(77)50(87-40(69)15-11-30-10-13-35(81-8)36(22-30)82-9)29(2)85-56(51)91-58(80)63-19-18-59(3,4)23-32(63)31-12-14-38-60(5)24-33(67)52(90-55-46(75)43(72)42(71)37(25-65)86-55)62(7,57(78)79)39(60)16-17-61(38,6)64(31,27-66)21-20-63/h10-13,15,22,28-29,32-34,37-39,41-56,65-68,70-77H,14,16-21,23-27H2,1-9H3,(H,78,79)/b15-11+/t28-,29+,32-,33-,34+,37+,38+,39+,41-,42+,43-,44-,45+,46+,47+,48-,49-,50-,51+,52-,53-,54-,55-,56-,60+,61+,62-,63-,64-/m0/s1
Standard InChI (Main Layer) InChI=1S/C64H94O27/c1-28-49(88-53-45(74)41(70)34(68)26-83-53)44(73)47(76)54(84-28)89-51-48(77)50(87-40(69)15-11-30-10-13-35(81-8)36(22-30)82-9)29(2)85-56(51)91-58(80)63-19-18-59(3,4)23-32(63)31-12-14-38-60(5)24-33(67)52(90-55-46(75)43(72)42(71)37(25-65)86-55)62(7,57(78)79)39(60)16-17-61(38,6)64(31,27-66)21-20-63/h10-13,15,22,28-29,32-34,37-39,41-56,65-68,70-77H,14,16-21,23-27H2,1-9H3,(H,78,79)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 4

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Polygalaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Polygala glomerata 4275 Polygalaceae rosids Viridiplantae